[3-[4-(2-azanyl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]quinoxalin-2-yl]-(3-chlorophenyl)sulfonyl-azanide

Systemtic Name: [3-[4-(2-azanyl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]quinoxalin-2-yl]-(3-chlorophenyl)sulfonyl-azanide Openeye Name: [3-[4-(2-amino-2-oxo-ethyl)piperazin-4-ium-1-yl]quinoxalin-2-yl]-(3-chlorophenyl)sulfonyl-azanide CAS Name: [3-[4-(2-amino-2-oxoethyl)-1-piperazin-4-iumyl]-2-quinoxalinyl]-(3-chlorophenyl)sulfonylazanide IUPAC Name: [3-[4-(2-amino-2-oxoethyl)piperazin-4-ium-1-yl]quinoxalin-2-yl]-(3-chlorophenyl)sulfonylazanide Traditional Name: [3-[4-(2-amino-2-keto-ethyl)piperazin-4-ium-1-yl]quinoxalin-2-yl]-(3-chlorophenyl)sulfonyl-azanide Formula: C20H21ClN6O3S MolecularWeight: 460.93714

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N)C2=NC3=CC=CC=C3N=C2[N-]S(=O)(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N)C2=NC3=CC=CC=C3N=C2[N-]S(=O)(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H21ClN6O3S/c21-14-4-3-5-15(12-14)31(29,30)25-19-20(24-17-7-2-1-6-16(17)23-19)27-10-8-26(9-11-27)13-18(22)28/h1-7,12H,8-11,13H2,(H3,22,23,25,28)